#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbi s ALA 2 N 0.00 -1.99 1.16 1.79 0.00 -1.26 -5.18 121.76 116.28 1jbi s ALA 2 Ca 0.00 1.71 -0.18 0.00 0.00 0.00 0.00 51.96 53.49 1jbi s ALA 2 Cb 0.00 -2.02 0.27 0.00 0.00 0.00 0.00 23.12 21.37 1jbi s ALA 2 CO 0.00 -1.27 1.11 -1.25 0.00 0.00 0.00 175.76 174.35 1jbi s PRO 3 N 2.80 -0.86 -0.25 0.00 0.04 -1.26 -4.84 135.00 130.61 1jbi s PRO 3 Ca 0.16 0.05 -0.06 0.00 0.04 0.00 0.00 61.00 61.19 1jbi s PRO 3 Cb -0.15 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 1jbi s PRO 3 CO -0.20 -3.50 0.04 0.42 0.04 0.00 0.00 177.00 173.80 1jbi s ILE 4 N -3.01 3.89 -0.44 0.56 1.09 0.06 -4.98 121.20 118.37 1jbi s ILE 4 Ca 0.70 -0.45 -0.27 0.00 -1.10 0.00 0.00 60.65 59.53 1jbi s ILE 4 Cb -0.12 -2.87 0.03 0.00 -1.06 0.00 0.00 42.46 38.44 1jbi s ILE 4 CO 0.56 0.28 0.99 0.00 -0.10 0.00 0.00 174.94 176.67 1jbi s ALA 5 N 1.53 3.25 0.17 9.38 0.00 -1.26 -1.47 121.76 133.37 1jbi s ALA 5 Ca 0.05 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1jbi s ALA 5 Cb -0.16 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 1jbi s ALA 5 CO 0.01 -2.01 0.34 0.96 0.00 0.00 0.00 175.76 175.06 1jbi s ILE 6 N 3.89 5.27 -0.78 0.00 -5.25 -0.43 -4.96 121.20 118.95 1jbi s ILE 6 Ca 0.41 -0.51 0.02 0.00 -0.99 0.00 0.00 60.65 59.58 1jbi s ILE 6 Cb -0.10 -3.73 0.14 0.00 2.95 0.00 0.00 42.46 41.72 1jbi s ILE 6 CO 0.26 -0.12 0.77 1.07 -1.79 0.00 0.00 174.94 175.13 1jbi n THR 7 N -0.57 0.59 -0.85 8.37 5.66 -1.26 -4.35 114.28 121.86 1jbi n THR 7 Ca -0.06 -0.26 -0.04 0.00 -3.05 0.00 0.00 64.05 60.64 1jbi n THR 7 Cb 0.54 -0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 68.79 1jbi n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jbi n PHE 9 N -1.37 0.00 -1.83 0.00 7.35 -1.26 -4.74 117.46 115.62 1jbi n PHE 9 Ca -0.04 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.23 1jbi n PHE 9 Cb 0.32 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.14 1jbi n PHE 9 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1jbi s THR 10 N -0.81 2.17 0.42 -2.13 2.01 -1.26 -4.90 115.64 111.14 1jbi s THR 10 Ca 0.00 0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.23 1jbi s THR 10 Cb 0.00 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 1jbi s THR 10 CO 0.00 0.03 0.44 -0.13 -0.69 0.00 0.00 174.62 174.27 1jbi s ARG 11 N -0.74 2.63 0.00 4.92 0.52 -1.26 -0.80 118.95 124.22 1jbi s ARG 11 Ca 0.61 -1.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1jbi s ARG 11 Cb -0.46 -2.50 0.17 0.00 0.52 0.00 0.00 34.95 32.67 1jbi s ARG 11 CO 0.49 -0.22 1.10 0.41 0.02 0.00 0.00 175.30 177.11 1jbi n GLY 12 N -1.65 -0.60 0.18 -3.53 0.00 -0.30 -1.53 105.19 97.76 1jbi n GLY 12 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1jbi n GLY 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jbi h LEU 13 N 0.00 0.00 0.22 0.99 3.38 -1.65 -3.23 115.31 115.03 1jbi h LEU 13 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jbi h LEU 13 Cb 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jbi h LEU 13 CO 0.00 0.43 -0.11 0.44 0.09 0.00 0.00 178.44 179.29 1jbi h ASP 14 N 0.00 -0.25 -2.65 -0.43 5.19 -1.61 -3.41 116.42 113.26 1jbi h ASP 14 Ca -0.00 0.01 -0.69 0.00 -0.62 0.00 0.00 57.03 55.73 1jbi h ASP 14 Cb 0.75 0.07 -0.18 0.00 0.18 0.00 0.00 39.33 40.15 1jbi h ASP 14 CO 0.06 -0.09 0.61 -0.63 -3.12 0.00 0.00 179.24 176.06 1jbi s ILE 15 N -2.83 4.74 -0.31 0.35 1.01 -1.22 -4.78 121.20 118.16 1jbi s ILE 15 Ca -0.04 -1.33 0.10 0.00 0.00 0.00 0.00 60.65 59.37 1jbi s ILE 15 Cb 0.00 -4.69 0.63 0.00 0.01 0.00 0.00 42.46 38.41 1jbi s ILE 15 CO 0.13 -1.40 1.66 0.54 0.00 0.00 0.00 174.94 175.87 1jbi n ARG 16 N 6.52 2.82 -1.81 2.79 1.74 -1.25 -4.82 116.66 122.65 1jbi n ARG 16 Ca 0.13 -3.06 -0.32 0.00 -0.77 0.00 0.00 57.85 53.83 1jbi n ARG 16 Cb 0.47 -2.03 0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1jbi n ARG 16 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1jbi s LYS 17 N -3.08 3.07 0.16 5.56 1.02 -1.26 -4.94 119.74 120.27 1jbi s LYS 17 Ca 0.50 1.14 -0.27 0.00 0.02 0.00 0.00 55.97 57.37 1jbi s LYS 17 Cb 0.42 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.74 1jbi s LYS 17 CO 0.09 -1.01 1.57 1.49 -0.92 0.00 0.00 175.35 176.57 1jbi h GLU 18 N -0.07 -0.28 -2.23 1.68 4.81 -1.95 -3.26 114.58 113.29 1jbi h GLU 18 Ca -0.46 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 1jbi h GLU 18 Cb 1.22 0.06 -0.20 0.00 0.63 0.00 0.00 28.75 30.46 1jbi h GLU 18 CO 0.56 -0.19 0.07 -1.59 -0.73 0.00 0.00 179.01 177.13 1jbi s LYS 19 N -5.83 0.89 -0.09 1.92 0.00 -1.26 -0.37 119.74 114.99 1jbi s LYS 19 Ca -0.14 0.40 -0.21 0.00 0.00 0.00 0.00 55.97 56.01 1jbi s LYS 19 Cb 0.12 0.42 0.05 0.00 0.00 0.00 0.00 37.83 38.42 1jbi s LYS 19 CO 0.65 -0.23 0.51 0.00 0.00 0.00 0.00 175.35 176.29 1jbi s ALA 20 N -0.69 -1.30 -0.19 0.59 0.00 0.39 -4.97 121.76 115.59 1jbi s ALA 20 Ca -0.08 1.06 -0.17 0.00 0.00 0.00 0.00 51.96 52.77 1jbi s ALA 20 Cb -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1jbi s ALA 20 CO 0.06 -0.29 0.45 -0.51 0.00 0.00 0.00 175.76 175.47 1jbi s ASP 21 N -0.73 6.50 0.02 0.00 1.11 -1.26 -0.70 116.67 121.61 1jbi s ASP 21 Ca -0.08 0.60 0.04 0.00 0.18 0.00 0.00 52.55 53.29 1jbi s ASP 21 Cb -0.03 -2.26 -0.02 0.00 1.07 0.00 0.00 42.92 41.68 1jbi s ASP 21 CO 0.05 -0.11 -0.13 0.68 1.18 0.00 0.00 175.17 176.84 1jbi s VAL 22 N 1.39 1.01 -0.02 -1.27 -7.23 0.13 -0.76 120.40 113.63 1jbi s VAL 22 Ca 0.21 -0.81 0.08 0.00 -1.81 0.00 0.00 61.98 59.65 1jbi s VAL 22 Cb -0.15 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.88 1jbi s VAL 22 CO 0.09 0.08 -0.25 -0.76 -0.31 0.00 0.00 175.10 173.95 1jbi s LEU 23 N -0.82 2.10 -0.34 1.32 2.01 -0.54 -0.93 118.68 121.47 1jbi s LEU 23 Ca 0.02 -0.45 0.03 0.00 0.01 0.00 0.00 54.13 53.74 1jbi s LEU 23 Cb -0.07 -1.35 0.10 0.00 0.01 0.00 0.00 46.19 44.88 1jbi s LEU 23 CO 0.01 0.32 0.07 0.00 1.01 0.00 0.00 176.35 177.76 1jbi n PRO 25 N 4.29 -0.81 0.00 0.00 -0.04 -1.26 -2.40 135.00 134.78 1jbi n PRO 25 Ca 0.03 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1jbi n PRO 25 Cb 0.41 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1jbi n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jbi n GLY 26 N 2.92 1.71 0.00 0.55 0.00 -1.26 -4.27 105.19 104.84 1jbi n GLY 26 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1jbi n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbi n GLY 27 N 0.00 0.54 3.76 -0.02 0.00 -1.25 -4.77 105.19 103.45 1jbi n GLY 27 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1jbi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jbi s PRO 29 N -4.81 0.51 -1.12 0.00 0.04 -1.26 -4.59 135.00 123.77 1jbi s PRO 29 Ca 0.01 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 1jbi s PRO 29 Cb -0.00 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.73 1jbi s PRO 29 CO 0.89 -2.70 2.28 1.28 0.04 0.00 0.00 177.00 178.79 1jbi n LEU 30 N -4.17 5.90 -0.09 -3.56 4.77 -1.26 -4.25 117.00 114.35 1jbi n LEU 30 Ca 0.05 -3.41 -0.13 0.00 -0.03 0.00 0.00 56.01 52.49 1jbi n LEU 30 Cb 0.56 -1.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.30 1jbi n LEU 30 CO 0.57 0.80 -0.39 -0.08 -1.33 0.00 0.00 177.39 176.97 1jbi h GLU 31 N 6.32 0.00 -2.41 3.23 4.81 -2.01 -3.45 114.58 121.07 1jbi h GLU 31 Ca 0.58 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 59.30 1jbi h GLU 31 Cb 0.37 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.38 1jbi h GLU 31 CO 1.70 0.52 -0.79 -1.21 -0.73 0.00 0.00 179.01 178.50 1jbi s GLU 32 N -2.27 0.52 -0.27 1.92 2.02 -1.26 -5.08 118.70 114.29 1jbi s GLU 32 Ca -0.21 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 53.70 1jbi s GLU 32 Cb 0.04 -1.09 0.04 0.00 0.10 0.00 0.00 34.13 33.21 1jbi s GLU 32 CO 0.41 -1.18 -0.04 -0.06 0.02 0.00 0.00 175.26 174.41 1jbi s PHE 33 N 1.34 3.15 -0.04 1.61 0.40 -1.26 -4.85 117.98 118.33 1jbi s PHE 33 Ca 0.16 -1.72 0.04 0.00 -0.60 0.00 0.00 56.93 54.82 1jbi s PHE 33 Cb -0.20 -2.07 -0.00 0.00 0.51 0.00 0.00 43.02 41.26 1jbi s PHE 33 CO -0.06 -0.77 -0.16 0.45 0.70 0.00 0.00 175.22 175.39 1jbi s SER 34 N 1.29 2.03 0.04 1.36 0.15 -1.26 -4.76 113.70 112.54 1jbi s SER 34 Ca -0.02 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.31 1jbi s SER 34 Cb -0.18 -0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 63.60 1jbi s SER 34 CO -0.03 0.15 -0.06 -0.69 1.20 0.00 0.00 173.24 173.81 1jbi s VAL 35 N -0.01 0.42 -0.27 4.45 1.01 -1.23 -1.30 120.40 123.47 1jbi s VAL 35 Ca -0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 1jbi s VAL 35 Cb -0.10 -0.58 0.10 0.00 0.00 0.00 0.00 36.38 35.80 1jbi s VAL 35 CO 0.02 -0.45 0.17 -0.31 0.00 0.00 0.00 175.10 174.53 1jbi s TYR 36 N -1.56 0.07 0.00 5.22 1.51 -1.26 -2.31 117.35 119.02 1jbi s TYR 36 Ca -0.10 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1jbi s TYR 36 Cb -0.09 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.03 1jbi s TYR 36 CO -0.00 -0.79 0.00 0.41 -1.11 0.00 0.00 175.55 174.05 1jbi n GLY 37 N 5.27 -2.22 3.90 0.71 0.00 -0.75 -0.85 105.19 111.25 1jbi n GLY 37 Ca -0.05 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 1jbi n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jbi s ASN 38 N -2.57 6.48 0.00 1.61 4.22 -1.26 -4.28 114.94 119.15 1jbi s ASN 38 Ca 0.00 0.55 0.00 0.00 -2.14 0.00 0.00 52.86 51.27 1jbi s ASN 38 Cb 0.00 -2.08 0.00 0.00 1.28 0.00 0.00 41.25 40.45 1jbi s ASN 38 CO 0.00 0.13 0.00 -0.38 -2.04 0.00 0.00 177.10 174.81 1jbi n ILE 39 N 0.44 0.00 -2.69 0.54 2.08 -1.26 -4.59 119.36 113.89 1jbi n ILE 39 Ca -0.05 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.84 1jbi n ILE 39 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.38 1jbi n ILE 39 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1jbi s VAL 40 N 0.00 4.11 -0.37 1.39 1.01 -1.26 -4.06 120.40 121.22 1jbi s VAL 40 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 1jbi s VAL 40 Cb 0.00 -4.90 0.01 0.00 0.00 0.00 0.00 36.38 31.49 1jbi s VAL 40 CO 0.00 -1.75 0.81 -0.31 0.00 0.00 0.00 175.10 173.85 1jbi s TYR 41 N 4.52 3.10 0.76 5.22 2.02 0.30 -4.18 117.35 129.09 1jbi s TYR 41 Ca 0.37 0.57 -0.14 0.00 -0.37 0.00 0.00 57.07 57.50 1jbi s TYR 41 Cb -0.06 -3.47 0.06 0.00 -0.40 0.00 0.00 41.96 38.09 1jbi s TYR 41 CO -0.01 -0.77 1.19 0.00 -1.57 0.00 0.00 175.55 174.39 1jbi s ALA 42 N 3.19 2.02 0.32 3.71 0.00 -0.03 -0.12 121.76 130.85 1jbi s ALA 42 Ca 0.33 0.78 0.09 0.00 0.00 0.00 0.00 51.96 53.16 1jbi s ALA 42 Cb -0.13 -3.45 0.92 0.00 0.00 0.00 0.00 23.12 20.47 1jbi s ALA 42 CO 0.18 -2.01 1.67 1.03 0.00 0.00 0.00 175.76 176.63 1jbi h SER 43 N -0.62 0.37 0.32 0.00 0.87 -1.51 -0.27 113.55 112.71 1jbi h SER 43 Ca -0.46 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1jbi h SER 43 Cb 1.28 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1jbi h SER 43 CO 0.48 -0.10 0.00 0.55 -0.53 0.00 0.00 176.83 177.23 1jbi n VAL 44 N -5.08 1.02 -2.04 2.23 3.14 -1.26 -1.14 118.33 115.19 1jbi n VAL 44 Ca 0.27 0.49 -0.41 0.00 -2.96 0.00 0.00 64.34 61.74 1jbi n VAL 44 Cb 0.84 -1.45 -0.02 0.00 -1.06 0.00 0.00 33.84 32.15 1jbi n VAL 44 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1jbi s SER 45 N -3.99 6.68 0.56 6.55 0.01 -0.11 -4.75 113.70 118.64 1jbi s SER 45 Ca 0.01 2.73 -0.21 0.00 1.31 0.00 0.00 55.95 59.79 1jbi s SER 45 Cb 0.07 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1jbi s SER 45 CO 0.26 -0.63 1.33 -0.55 0.41 0.00 0.00 173.24 174.07 1jbi s SER 46 N -0.21 5.23 0.10 2.44 0.15 -0.42 -1.39 113.70 119.61 1jbi s SER 46 Ca 0.52 2.71 -0.16 0.00 0.70 0.00 0.00 55.95 59.72 1jbi s SER 46 Cb -0.41 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.21 1jbi s SER 46 CO 0.52 -1.59 1.53 0.40 1.20 0.00 0.00 173.24 175.29 1jbi h ILE 47 N 1.33 1.27 -0.19 6.45 2.04 -1.26 0.74 117.51 127.89 1jbi h ILE 47 Ca -0.51 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.31 1jbi h ILE 47 Cb 1.30 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1jbi h ILE 47 CO 0.57 0.34 0.12 0.00 0.00 0.00 0.00 178.15 179.17 1jbi h GLY 49 N 0.23 -1.37 0.72 0.00 0.00 -1.80 -0.26 103.07 100.59 1jbi h GLY 49 Ca 0.07 0.70 0.05 0.00 0.00 0.00 0.00 47.33 48.15 1jbi h GLY 49 CO -0.01 -0.41 0.36 0.00 0.00 0.00 0.00 176.54 176.48 1jbi h ALA 50 N -0.82 0.85 0.46 3.60 0.00 -0.82 -0.35 119.26 122.17 1jbi h ALA 50 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jbi h ALA 50 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jbi h ALA 50 CO -0.24 0.04 -0.22 0.00 0.00 0.00 0.00 179.25 178.83 1jbi h ALA 51 N 1.33 -0.62 -0.36 0.00 0.00 -0.72 0.75 119.26 119.64 1jbi h ALA 51 Ca 0.28 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1jbi h ALA 51 Cb 0.15 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1jbi h ALA 51 CO -0.17 -0.73 -0.13 0.28 0.00 0.00 0.00 179.25 178.50 1jbi h VAL 52 N -0.86 1.25 -0.30 0.00 2.07 -1.05 -0.04 116.25 117.31 1jbi h VAL 52 Ca -0.06 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1jbi h VAL 52 Cb 0.57 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1jbi h VAL 52 CO 0.10 0.37 0.18 -0.74 0.02 0.00 0.00 177.57 177.50 1jbi h HIS 53 N 0.57 0.41 0.00 1.57 6.17 -0.99 -1.94 115.15 120.94 1jbi h HIS 53 Ca 0.10 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.16 1jbi h HIS 53 Cb 0.56 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 30.35 1jbi h HIS 53 CO 0.02 0.32 -0.08 -0.09 0.71 0.00 0.00 177.93 178.81 1jbi h ARG 54 N 0.38 0.00 0.00 5.26 9.65 -0.60 -3.44 114.38 125.63 1jbi h ARG 54 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1jbi h ARG 54 Cb 0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1jbi h ARG 54 CO -0.02 0.08 0.00 0.41 2.80 0.00 0.00 179.97 183.24 1jbi n GLY 55 N -1.05 0.88 0.06 2.80 0.00 -0.58 -5.01 105.19 102.29 1jbi n GLY 55 Ca -0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1jbi n GLY 55 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jbi h VAL 56 N 0.00 1.11 -4.27 1.61 2.07 -1.27 -3.46 116.25 112.03 1jbi h VAL 56 Ca 0.00 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 1jbi h VAL 56 Cb 0.00 1.25 -0.15 0.00 -1.52 0.00 0.00 31.29 30.87 1jbi h VAL 56 CO 0.00 0.09 -0.67 0.27 0.02 0.00 0.00 177.57 177.28 1jbi s ILE 57 N -5.70 0.19 0.97 4.57 -4.36 -1.26 -4.95 121.20 110.67 1jbi s ILE 57 Ca -0.14 -1.82 -0.15 0.00 -0.26 0.00 0.00 60.65 58.28 1jbi s ILE 57 Cb 0.05 -1.64 0.19 0.00 1.25 0.00 0.00 42.46 42.31 1jbi s ILE 57 CO 0.67 -0.87 1.24 -0.44 0.24 0.00 0.00 174.94 175.78 1jbi s SER 58 N -2.95 3.01 -1.17 4.36 0.01 -1.26 -4.16 113.70 111.54 1jbi s SER 58 Ca 0.11 0.51 -0.18 0.00 1.31 0.00 0.00 55.95 57.69 1jbi s SER 58 Cb 0.08 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 1jbi s SER 58 CO -0.07 -2.82 2.01 -3.20 0.41 0.00 0.00 173.24 169.57 1jbi n ASN 59 N -3.87 3.49 0.00 2.44 2.85 -1.26 -3.34 115.26 115.57 1jbi n ASN 59 Ca 0.13 -2.78 0.00 0.00 -0.11 0.00 0.00 54.58 51.81 1jbi n ASN 59 Cb 0.60 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 40.12 1jbi n ASN 59 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1jbi n SER 60 N 8.00 0.00 0.00 1.20 2.88 -1.10 -4.87 113.62 119.73 1jbi n SER 60 Ca 0.50 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1jbi n SER 60 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1jbi n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jbi n GLY 61 N 0.00 -2.61 0.00 0.46 0.00 -1.21 -3.93 105.19 97.90 1jbi n GLY 61 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1jbi n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jbi n GLY 62 N -1.62 -1.37 3.73 -0.02 0.00 -1.01 -4.89 105.19 100.02 1jbi n GLY 62 Ca 0.00 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1jbi n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jbi s PRO 63 N -1.15 4.58 0.16 1.61 0.04 -1.26 -2.34 135.00 136.64 1jbi s PRO 63 Ca 0.00 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 62.66 1jbi s PRO 63 Cb 0.00 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1jbi s PRO 63 CO 0.00 0.04 0.28 0.08 0.04 0.00 0.00 177.00 177.44 1jbi s VAL 64 N -0.07 0.07 -0.08 -0.36 1.01 -0.11 -4.34 120.40 116.52 1jbi s VAL 64 Ca 0.50 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1jbi s VAL 64 Cb -0.29 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1jbi s VAL 64 CO 0.34 -0.30 -0.01 -0.60 0.00 0.00 0.00 175.10 174.53 1jbi s ARG 65 N -3.96 0.74 0.26 2.72 3.52 -0.17 -0.70 118.95 121.36 1jbi s ARG 65 Ca 0.17 0.03 -0.19 0.00 -0.13 0.00 0.00 55.73 55.61 1jbi s ARG 65 Cb 0.03 -1.11 -0.09 0.00 -1.56 0.00 0.00 34.95 32.22 1jbi s ARG 65 CO -0.00 -0.32 0.74 0.08 -0.81 0.00 0.00 175.30 175.00 1jbi s VAL 66 N 1.93 4.58 -0.14 7.11 1.01 0.12 -1.03 120.40 133.99 1jbi s VAL 66 Ca 0.05 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 1jbi s VAL 66 Cb -0.13 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.52 1jbi s VAL 66 CO -0.06 0.07 -0.00 -0.31 0.00 0.00 0.00 175.10 174.80 1jbi s TYR 67 N -1.69 1.08 0.67 5.22 1.51 0.02 -0.46 117.35 123.69 1jbi s TYR 67 Ca 0.47 -0.66 -0.17 0.00 -1.01 0.00 0.00 57.07 55.70 1jbi s TYR 67 Cb -0.15 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.67 1jbi s TYR 67 CO 0.20 -0.51 1.18 -1.13 -1.11 0.00 0.00 175.55 174.18 1jbi n SER 68 N 5.04 1.50 -3.98 2.29 3.41 0.50 -0.56 113.62 121.82 1jbi n SER 68 Ca -0.09 0.78 -0.15 0.00 -0.26 0.00 0.00 58.87 59.15 1jbi n SER 68 Cb 0.48 -1.50 -0.14 0.00 -0.26 0.00 0.00 64.21 62.80 1jbi n SER 68 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1jbi s LEU 69 N -3.86 2.07 1.40 1.04 0.20 0.02 -4.71 118.68 114.84 1jbi s LEU 69 Ca 0.80 -0.20 -0.22 0.00 0.69 0.00 0.00 54.13 55.19 1jbi s LEU 69 Cb -0.37 -0.22 0.36 0.00 -0.43 0.00 0.00 46.19 45.52 1jbi s LEU 69 CO 0.44 -0.01 0.94 -2.84 -0.29 0.00 0.00 176.35 174.59 1jbi s PRO 70 N -0.48 -2.78 0.30 0.98 0.02 -1.26 -1.65 135.00 130.13 1jbi s PRO 70 Ca -0.01 0.20 -0.29 0.00 0.02 0.00 0.00 61.00 60.92 1jbi s PRO 70 Cb -0.04 -1.39 -0.12 0.00 0.02 0.00 0.00 34.50 32.97 1jbi s PRO 70 CO -0.00 -4.79 1.39 0.41 -0.33 0.00 0.00 177.00 173.68 1jbi n GLY 71 N 1.34 0.82 3.19 0.52 0.00 -1.26 -3.43 105.19 106.36 1jbi n GLY 71 Ca 0.12 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 1jbi n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbi s ARG 72 N -1.20 1.00 0.29 1.61 1.81 -0.76 -4.92 118.95 116.79 1jbi s ARG 72 Ca 0.61 -1.43 -0.09 0.00 -1.72 0.00 0.00 55.73 53.10 1jbi s ARG 72 Cb -0.57 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.19 1jbi s ARG 72 CO 0.56 -0.30 0.49 -1.83 -0.68 0.00 0.00 175.30 173.54 1jbi s GLU 73 N -4.05 1.72 -1.19 3.54 1.03 -1.26 -2.20 118.70 116.28 1jbi s GLU 73 Ca 0.25 -1.46 -0.09 0.00 0.03 0.00 0.00 54.97 53.70 1jbi s GLU 73 Cb 0.07 0.47 -0.02 0.00 -0.80 0.00 0.00 34.13 33.85 1jbi s GLU 73 CO 0.03 -0.72 0.77 0.09 -1.33 0.00 0.00 175.26 174.10 1jbi n ASN 74 N -0.83 -3.81 -2.56 0.83 3.02 -1.26 -5.00 115.26 105.65 1jbi n ASN 74 Ca -0.01 -0.87 -0.05 0.00 -0.03 0.00 0.00 54.58 53.61 1jbi n ASN 74 Cb 0.62 -4.02 0.04 0.00 -0.61 0.00 0.00 39.78 35.81 1jbi n ASN 74 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jbi n TYR 75 N -4.02 -3.50 -4.14 3.10 4.02 -1.26 -5.08 117.16 106.27 1jbi n TYR 75 Ca -0.18 -0.20 -0.13 0.00 -0.01 0.00 0.00 57.90 57.39 1jbi n TYR 75 Cb 0.63 -0.20 -0.05 0.00 -0.02 0.00 0.00 39.34 39.70 1jbi n TYR 75 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1jbi n SER 76 N -3.27 -0.61 -4.01 7.72 7.64 -1.26 -4.85 113.62 114.98 1jbi n SER 76 Ca 0.03 -2.53 -0.28 0.00 1.01 0.00 0.00 58.87 57.10 1jbi n SER 76 Cb 0.11 1.34 -0.17 0.00 -1.01 0.00 0.00 64.21 64.48 1jbi n SER 76 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1jbi s SER 77 N -2.65 2.29 -0.11 6.43 0.01 -1.26 -1.84 113.70 116.57 1jbi s SER 77 Ca 0.27 -0.38 -0.10 0.00 1.31 0.00 0.00 55.95 57.05 1jbi s SER 77 Cb 0.01 -1.00 0.03 0.00 0.21 0.00 0.00 66.02 65.27 1jbi s SER 77 CO 0.19 -0.02 0.29 -0.69 0.41 0.00 0.00 173.24 173.42 1jbi s VAL 78 N 1.16 -0.00 -0.07 3.43 1.01 -0.69 -4.95 120.40 120.28 1jbi s VAL 78 Ca -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1jbi s VAL 78 Cb -0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1jbi s VAL 78 CO -0.03 0.01 0.08 -0.62 0.00 0.00 0.00 175.10 174.53 1jbi s ASP 79 N 0.29 5.77 -0.09 3.32 -1.08 -1.26 -0.84 116.67 122.78 1jbi s ASP 79 Ca -0.01 0.26 -0.05 0.00 -0.52 0.00 0.00 52.55 52.22 1jbi s ASP 79 Cb -0.03 -1.73 0.04 0.00 -1.46 0.00 0.00 42.92 39.74 1jbi s ASP 79 CO -0.01 0.36 0.21 0.00 0.52 0.00 0.00 175.17 176.25 1jbi s ALA 80 N -1.03 -0.48 -1.60 3.66 0.00 -0.84 -4.91 121.76 116.56 1jbi s ALA 80 Ca 0.17 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1jbi s ALA 80 Cb -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1jbi s ALA 80 CO 0.07 -0.16 0.00 0.09 0.00 0.00 0.00 175.76 175.76 1jbi n ASN 81 N 3.81 -4.56 -0.39 0.00 3.02 -1.26 -2.80 115.26 113.08 1jbi n ASN 81 Ca -0.21 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1jbi n ASN 81 Cb 0.55 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 1jbi n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jbi n GLY 82 N -0.56 0.92 2.80 7.41 0.00 -1.26 -5.02 105.19 109.48 1jbi n GLY 82 Ca -0.18 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 1jbi n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jbi s ILE 83 N -2.78 -0.14 -0.20 -0.61 1.01 -1.12 -5.11 121.20 112.25 1jbi s ILE 83 Ca 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 1jbi s ILE 83 Cb 0.00 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 1jbi s ILE 83 CO 0.00 0.13 0.08 -1.58 0.00 0.00 0.00 174.94 173.57 1jbi s GLN 84 N 1.80 3.97 -0.00 2.79 2.00 -1.26 -1.98 119.66 126.97 1jbi s GLN 84 Ca -0.01 -0.34 -0.01 0.00 -2.00 0.00 0.00 55.36 53.00 1jbi s GLN 84 Cb -0.12 -3.29 -0.04 0.00 0.80 0.00 0.00 33.01 30.36 1jbi s GLN 84 CO -0.05 0.19 0.10 -1.54 -0.50 0.00 0.00 175.29 173.50 1jbi s SER 85 N 0.60 5.78 0.06 6.67 1.04 -0.02 -3.57 113.70 124.26 1jbi s SER 85 Ca 0.04 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.67 1jbi s SER 85 Cb -0.13 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.28 1jbi s SER 85 CO 0.01 0.27 -0.09 0.00 0.98 0.00 0.00 173.24 174.42 1jbi s GLN 86 N -1.78 0.65 0.98 4.02 0.00 -0.98 -1.70 119.66 120.86 1jbi s GLN 86 Ca 0.24 -0.93 -0.12 0.00 -0.00 0.00 0.00 55.36 54.55 1jbi s GLN 86 Cb -0.12 -0.36 0.18 0.00 0.00 0.00 0.00 33.01 32.70 1jbi s GLN 86 CO 0.15 0.06 1.09 0.00 0.00 0.00 0.00 175.29 176.58 1jbi s MET 87 N -2.15 0.57 0.23 9.60 0.23 -0.77 -1.81 119.30 125.21 1jbi s MET 87 Ca -0.03 0.99 0.03 0.00 -1.03 0.00 0.00 55.69 55.64 1jbi s MET 87 Cb -0.06 -1.72 -0.01 0.00 -1.53 0.00 0.00 34.83 31.51 1jbi s MET 87 CO -0.00 -2.76 0.10 1.28 -2.03 0.00 0.00 175.02 171.61 1jbi n LEU 88 N -4.26 0.00 -3.90 0.18 4.32 -1.26 -4.89 117.00 107.19 1jbi n LEU 88 Ca 0.07 -1.81 -0.29 0.00 -0.02 0.00 0.00 56.01 53.96 1jbi n LEU 88 Cb 0.54 0.67 -0.13 0.00 -1.62 0.00 0.00 43.42 42.89 1jbi n LEU 88 CO 0.55 -0.28 -0.10 -0.94 -1.22 0.00 0.00 177.39 175.39 1jbi s SER 89 N -2.43 4.50 -0.73 -1.43 1.04 -1.26 -4.61 113.70 108.78 1jbi s SER 89 Ca 0.14 -3.48 -0.03 0.00 0.48 0.00 0.00 55.95 53.05 1jbi s SER 89 Cb 0.01 -1.58 -0.04 0.00 0.10 0.00 0.00 66.02 64.51 1jbi s SER 89 CO 0.10 -0.15 0.65 -1.14 0.98 0.00 0.00 173.24 173.68 1jbi n ARG 90 N 2.46 -1.52 -2.74 4.02 0.63 -1.26 -4.94 116.66 113.32 1jbi n ARG 90 Ca 0.14 0.79 -0.43 0.00 -0.92 0.00 0.00 57.85 57.43 1jbi n ARG 90 Cb 0.34 -4.73 -0.03 0.00 0.45 0.00 0.00 32.46 28.49 1jbi n ARG 90 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1jbi s TRP 91 N -3.22 2.94 0.00 -0.14 -0.11 -0.94 -4.89 118.94 112.57 1jbi s TRP 91 Ca 0.26 0.62 0.00 0.00 1.22 0.00 0.00 56.10 58.20 1jbi s TRP 91 Cb -0.03 -4.03 0.00 0.00 -1.50 0.00 0.00 33.47 27.91 1jbi s TRP 91 CO 0.55 -1.07 1.31 0.43 -4.62 0.00 0.00 176.95 173.55 1jbi n SER 92 N 7.27 3.69 -3.34 5.86 7.64 -1.26 -1.84 113.62 131.65 1jbi n SER 92 Ca 0.08 -2.05 0.02 0.00 1.01 0.00 0.00 58.87 57.93 1jbi n SER 92 Cb 0.48 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1jbi n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbi s ALA 93 N 0.09 -2.60 0.36 -0.43 0.00 -1.26 -4.26 121.76 113.66 1jbi s ALA 93 Ca 0.00 1.94 0.04 0.00 0.00 0.00 0.00 51.96 53.94 1jbi s ALA 93 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 1jbi s ALA 93 CO 0.00 -1.15 0.15 0.43 0.00 0.00 0.00 175.76 175.19 1jbi n SER 94 N 5.30 0.93 -3.68 0.00 7.64 -0.66 -1.38 113.62 121.78 1jbi n SER 94 Ca -0.07 -2.99 -0.08 0.00 1.01 0.00 0.00 58.87 56.74 1jbi n SER 94 Cb 0.52 1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 64.73 1jbi n SER 94 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1jbi s PHE 95 N -3.00 0.02 -0.02 1.43 -0.71 0.83 -0.80 117.98 115.74 1jbi s PHE 95 Ca 0.21 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.61 1jbi s PHE 95 Cb 0.01 0.61 0.02 0.00 -1.21 0.00 0.00 43.02 42.45 1jbi s PHE 95 CO 0.15 -1.26 0.01 -0.08 -1.34 0.00 0.00 175.22 172.70 1jbi s THR 96 N -3.59 0.06 0.05 -4.49 -1.32 0.28 -0.54 115.64 106.09 1jbi s THR 96 Ca 0.15 0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.74 1jbi s THR 96 Cb -0.05 -0.14 -0.04 0.00 -1.51 0.00 0.00 72.50 70.77 1jbi s THR 96 CO 0.09 0.08 0.04 0.54 -2.21 0.00 0.00 174.62 173.16 1jbi s VAL 97 N 0.66 4.32 0.16 5.08 0.11 -1.26 -0.80 120.40 128.67 1jbi s VAL 97 Ca -0.06 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1jbi s VAL 97 Cb -0.09 -3.02 -0.00 0.00 -1.53 0.00 0.00 36.38 31.74 1jbi s VAL 97 CO -0.02 0.22 0.20 0.35 -3.33 0.00 0.00 175.10 172.52 1jbi n THR 98 N 0.84 0.00 -1.49 5.04 -2.24 -0.20 -4.99 114.28 111.24 1jbi n THR 98 Ca -0.11 -0.93 -0.31 0.00 -2.27 0.00 0.00 64.05 60.43 1jbi n THR 98 Cb 0.52 0.53 0.08 0.00 -2.10 0.00 0.00 70.33 69.35 1jbi n THR 98 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jbi s LEU 99 N 0.00 2.88 0.00 3.22 1.43 -1.26 -1.00 118.68 123.95 1jbi s LEU 99 Ca 0.15 1.54 0.26 0.00 -1.03 0.00 0.00 54.13 55.05 1jbi s LEU 99 Cb -0.00 -4.27 1.55 0.00 0.03 0.00 0.00 46.19 43.50 1jbi s LEU 99 CO 0.11 -1.79 1.91 1.21 0.23 0.00 0.00 176.35 178.02